SCHEMBL7822006

SCHEMBL7822006

Cc1c(C)n(CCCCl)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
TP53 P04637 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
C5AR1 P21730 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7830852 0.94 CCNB2 (0.43) LGMNADORA3ADORA2BCCNB2CDK1
SCHEMBL7834893 0.87 POLB (0.44) ADORA3ADORA2BTP53CCNB2CDK1
SCHEMBL7821723 0.86 LMNA (0.50) LGMNTP53CCNB2CDK1CCNB1
SCHEMBL11196780 0.77 KDM4E (0.49) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7831973 0.77 KMT2A (0.55) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7830685 0.77 KMT2A (0.58) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7835021 0.76 MAPT (0.41) ADORA3ADORA2BCCNB2CDK1CCNB1
SCHEMBL7830310 0.76 MEN1 (0.48) ADORA3ADORA2BPKMRAB9ASMN1; SMN2
SCHEMBL7835524 0.76 ADORA3 (0.46) ADORA3ADORA2BCCNB2CDK1CCNB1
SCHEMBL7847076 0.76 ADORA3 (0.41) LGMNADORA3ADORA2BCCNB2CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed